EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

methyl beta-ionol
1-penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

Supplier Sponsors

Name:(E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-ol
CAS Number: 93840-90-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:298-957-4
Nikkaji Web:J317.678I
XlogP3:3.40 (est)
Molecular Weight:208.34448000
Formula:C14 H24 O
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 50.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.91000 to 0.93000 @ 100.00 °C.
Pounds per Gallon - (est).: 7.572 to 7.739
Refractive Index:1.48500 to 1.50500 @ 20.00 °C.
Boiling Point: 72.00 °C. @ 2.00 mm Hg
Boiling Point: 298.00 to 299.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000127 mmHg @ 25.00 °C. (est)
Flash Point: 210.00 °F. TCC ( 98.89 °C. )
logP (o/w): 4.569 (est)
Soluble in:
 alcohol
 water, 5.256 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
fruity berry
Odor Description:at 100.00 %. fruity berry
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-ol
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for methyl beta-ionol usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Recommendation for methyl beta-ionol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):93840-90-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6437442
National Institute of Allergy and Infectious Diseases:Data
(E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-ol
Chemidplus:0093840905
 
References:
 (E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6437442
Pubchem (sid):135065850
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-5-
nonen-2-one
FL/FR
acidic
acidic
2-
ethyl butyric acid
FL/FR
2-
methyl-2-pentenoic acid
FL/FR
alliaceous
methyl furfuryl disulfide
FL/FR
amber
ambrette seed absolute
FL/FR
anisic
para-
anisyl propanal
FR
balsamic
conifer acetate
FR
ethyl cinnamate
FL/FR
fir balsam absolute
FR
methyl (E)-cinnamate
FL/FR
methyl cinnamate
FL/FR
berry
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
camphoreous
alpha-
campholenic alcohol
FL/FR
caramellic
ethyl maltol
FL/FR
maltyl isobutyrate
FL/FR
maltyl propionate
FL/FR
strawberry furanone
FL/FR
earthy
3-
octen-2-one
FL/FR
ethereal
propyl formate
FL/FR
fermented
valeraldehyde
FL/FR
floral
cyclohexyl ethyl acetate
FL/FR
beta-
damascenone
FL/FR
alpha-
damascone
FL/FR
dihydro-alpha-ionone
FL/FR
ethyl ortho-anisate
FL/FR
heliotropyl acetate
FL/FR
heliotropyl acetone
FL/FR
hyacinth ether
FR
beta-
ionone
FL/FR
beta-
ionyl acetate
FL/FR
nerolin fragarol
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
phenethyl butyrate
FL/FR
phenethyl pivalate
FL/FR
rose carboxylate
FR
tetrahydroionyl acetate
FR
fruity
acetyl methyl anthranilate
FL/FR
allyl benzoate
FR
iso
amyl 2-methyl butyrate
FL/FR
artemisia pallens herb oil
FL/FR
benzyl butyrate
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry hexanoate
FR
berry pentadienoate
FL/FR
bisabolene
FL/FR
butyl anthranilate
FL/FR
iso
butyl anthranilate
FL/FR
iso
butyl butyrate
FL/FR
butyl hexanoate
FL/FR
iso
butyl isovalerate
FL/FR
butyl valerate
FL/FR
iso
butyl-3-(methyl thio) butyrate
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl levulinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
ethyl valerate
FL/FR
filbert hexenone
FL/FR
fruity ketal
FL/FR
geranyl butyrate
FL/FR
geranyl isovalerate
FL/FR
heliotropyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
beta-
ionone epoxide
FL/FR
leather propionate
FR
methyl 2-methyl valerate
FL/FR
methyl heptanoate
FL/FR
methyl propionate
FL/FR
neryl isobutyrate
FL/FR
3-
nonen-2-one
FL/FR
octyl propionate
FL/FR
osmanthus flower absolute
FL/FR
3-
phenyl propyl isovalerate
FL/FR
phenyl propyl valerate
FL/FR
iso
propenyl acetate
FL/FR
propyl acetate
FL/FR
propyl heptanoate
FL/FR
iso
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
prune glycidate
FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
styralyl butyrate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical trithiane
FL/FR
vanilla carboxylate
FL/FR
green
acetaldehyde methyl hexyl acetal
FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
thiogeraniol
FL/FR
herbal
artemisyl ketone
FL/FR
(S)-
campholene acetate
FL/FR
iso
dihydrolavandulal
FL/FR
herbal undecanone
FR
jammy
ethyl 2-methyl-2-pentenoate
FR
mentholic
menthyl acetate racemic
FL/FR
nutty
2-
methyl-3-pentenoic acid
FL/FR
phenolic
ortho-
cresyl isobutyrate
FL/FR
soapy
ambrettolide
FL/FR
sulfurous
blackberry thiophenone
FL/FR
buchu mercaptan
FL/FR
mango thiol
FL/FR
2-
phenethyl isothiocyanate
FL/FR
terpenic
pine needle oil dwarf
FL/FR
waxy
(E)-2-
octen-1-yl butyrate
FL/FR
woody
bornyl valerate
FL/FR
For Flavor
No flavor group found for these
allyl tiglate
FL
artemisyl ketone
FL/FR
blackberry thiophenone
FL/FR
iso
butyl-3-(methyl thio) butyrate
FL/FR
alpha-
campholenic alcohol
FL/FR
ortho-
cresyl isobutyrate
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl ortho-anisate
FL/FR
beta-
ionone epoxide
FL/FR
menthyl acetate racemic
FL/FR
methyl (E)-cinnamate
FL/FR
2-
methyl-3-pentenoic acid
FL/FR
(E)-5-
nonen-2-one
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
(E)-2-
octen-4-ol
FL
2-
phenethyl isothiocyanate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
phenyl propyl valerate
FL/FR
iso
propyl hexanoate
FL/FR
(E)-
spicy acrolein
FL
acidic
acidic
2-
ethyl butyric acid
FL/FR
balsamic
ethyl cinnamate
FL/FR
phenethyl pivalate
FL/FR
berry
dihydro-alpha-ionone
FL/FR
heliotropyl acetone
FL/FR
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
caramellic
ethyl maltol
FL/FR
maltyl propionate
FL/FR
strawberry furanone
FL/FR
citrus
bisabolene
FL/FR
coffee
methyl furfuryl disulfide
FL/FR
creamy
acetoin butyrate
FL
3-
octen-2-one
FL/FR
estery
octyl propionate
FL/FR
propyl acetate
FL/FR
ethereal
iso
propenyl acetate
FL/FR
floral
heliotropyl acetate
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
fruity
acetyl methyl anthranilate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
artemisia pallens herb oil
FL/FR
benzyl butyrate
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry pentadienoate
FL/FR
iso
butyl anthranilate
FL/FR
butyl anthranilate
FL/FR
iso
butyl butyrate
FL/FR
butyl hexanoate
FL/FR
butyl valerate
FL/FR
alpha-
damascone
FL/FR
ethyl 3-oxohexanoate
FL
ethyl levulinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
ethyl valerate
FL/FR
filbert hexenone
FL/FR
fruity ketal
FL/FR
furfuryl isovalerate
FL
geranyl butyrate
FL/FR
heliotropyl isobutyrate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl heptanoate
FL/FR
methyl propionate
FL/FR
nerolin fragarol
FL/FR
neryl isobutyrate
FL/FR
osmanthus flower absolute
FL/FR
phenethyl butyrate
FL/FR
propyl formate
FL/FR
propyl isobutyrate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
styralyl butyrate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical trithiane
FL/FR
vanilla carboxylate
FL/FR
green
iso
butyl isovalerate
FL/FR
cyclohexyl ethyl acetate
FL/FR
geranyl isovalerate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl octanoate
FL/FR
herbal
iso
dihydrolavandulal
FL/FR
jammy
(S)-
campholene acetate
FL/FR
maltyl isobutyrate
FL/FR
minty
thiogeraniol
FL/FR
oily
3-
nonen-2-one
FL/FR
pine
pine needle oil dwarf
FL/FR
soapy
ambrettolide
FL/FR
sour
2-
methyl-2-pentenoic acid
FL/FR
spicy
methyl cinnamate
FL/FR
sulfurous
buchu mercaptan
FL/FR
mango thiol
FL/FR
waxy
propyl heptanoate
FL/FR
winey
valeraldehyde
FL/FR
woody
ambrette seed absolute
FL/FR
bornyl valerate
FL/FR
beta-
damascenone
FL/FR
beta-
ionone
FL/FR
beta-
ionyl acetate
FL/FR
 
Potential Uses:
FRberry
FRblueberry
FRbutterscotch
FLcaramel
FRcotton candy
FRgeranium
FRjasmin
FRraspberry
FRrose
FRstrawberry
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
beta-methyl ionol
1-penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
1-(2,6,6-trimethyl-1-cyclohexen-1-yl) pent-1-en-3-ol
1-(2,6,6-trimethyl-1-cyclohexen-1-yl)pent-1-en-3-ol
(E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-ol
 

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